Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

InChI	InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
SMILES	Clc1ccc(cc1)S(=O)(=O)C
InChI Key	LMCOQDVJBWVNNI-UHFFFAOYSA-N
Exact Mass	190.647 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LMCOQDVJBWVNNI-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/LMCOQDVJBWVNNI-UHFFFAOYSA-N/CHMO0001146
Version
Author	José Carlos Ferreira da Cunha
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-01-20
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	Date : 2025-12-11 Starting time : 10:28:40 UTC Creator : José Carlos Ferreira da Cunha label : JFC-169 id : 149573 Solvent used for referencing : CDCl3 temperature : 298.1513 K PULPROG : hsqcetgp number of scans : 8 scans instrument : spect Name : Parameter file, TOPSPIN Version 3.2 Version : Parameter file, TOPSPIN Version 3.2

Data-Source Molecule ID	Data-Source
CHEMBL1863623	chembl
265232	surechembl
7395	pubchem
ZZZDQA	CCDC
BSP7WNI0XX	fdasrs
Molport-000-674-709	molport
The data in this table is sourced from UniChem at EBI.